Enviar artigo por via de e-mail Quantum-chemical study of coelenterazine withthe account of environment and electronic correlations
- Autores: Antipina L.Y.1, Ovchinnikov S.G.1, Antipina LY.1, Ovchinnikov SG1
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Afiliações:
- Edição: Volume 12, Nº 2 (2011)
- Páginas: 4-7
- Seção: Articles
- URL: https://journals.eco-vector.com/2712-8970/article/view/505628
- ID: 505628
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Resumo
Electronic structure and total energy of various isomeric forms of coelenterazine has been calculated by methods
of quantum chemistry both in one-electronic approach, and with correlation effects. It is shown that the account
of electronic correlations allows choosing structure of coelenterazine CLZ (1H) as most probable of possible isomeric
forms.
of quantum chemistry both in one-electronic approach, and with correlation effects. It is shown that the account
of electronic correlations allows choosing structure of coelenterazine CLZ (1H) as most probable of possible isomeric
forms.
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Sobre autores
Lyubov' Antipina
Email: antipinalyu@gmail.com
Sergey Ovchinnikov
Email: sgo@iph.krasn.ru
L Antipina
S Ovchinnikov
Bibliografia
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